0  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.16  C[C@@H](N)C(=O)N(C)C 4082759 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,0,0,0,0,0|2,0,1]=3
3  B7R0.16  C[C@H](N)C(=O)N(C)C 4059620 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.2  CC(=O)CC(C)N 4022442 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.2  CC(=O)CC(C)N 4089784 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.2  CC(C)CC(=N)N 4089840 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.3  CN(C)C(=O)CN 4088697 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.3  CNC(=O)C(C)N 4088228 [1,0,0,0,0,0|3,0,0]=4
9  B6R0.3  CNC(=O)[C@@H](C)N 4055906 [1,0,0,0,0,0|3,0,0]=4
10  B6R0.3  C[C@@H](O)C(=N)NO 4081862 [1,0,0,0,0,0|3,0,0]=4
11  B6R0.3  C[C@H](O)C(=N)NO 4061691 [1,0,0,0,0,0|3,0,0]=4
12  B8R0.2  CN[C@@H](C)C(=O)N(C)C 4058968 [0,1,0,0,0,0|3,0,0]=4
13  B8R0.2  CN[C@H](C)C(=O)N(C)C 4079600 [0,1,0,0,0,0|3,0,0]=4
14  B8R0.2  COC(=O)C(=O)C(C)C 4045773 [0,1,0,0,0,0|0,0,0]=1
15  B8R0.2  COC(=O)C(=O)C(F)F 4041032 [0,1,0,0,0,0|2,0,0]=3
16  B8R0.27  CN(C)C(=O)C(C)(C)N 4090756 [0,1,0,0,0,0|3,0,0]=4
17  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [0,0,0,0,0,1|1,0,1]=3
18  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [0,0,0,0,0,1|1,0,1]=3
19  B8R0.23  CC(CC(=O)O)N(C)C 4088130 [0,0,0,0,0,1|2,0,1]=4
20  B8R0.23  CC(CN(C)C)C(=O)O 4090277 [0,0,0,0,0,1|2,0,1]=4
21  B5R0.5  O=C(O)C(=O)O 4034715 [2,0,0,0,0,0|1,0,0]=3
22  B7R0.2  CNC(C)CC(=O)O 4090195 [1,1,0,0,0,0|0,0,1]=3
23  B7R0.5  CNCC(C)C(=O)O 4088272 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.10  CNC(=O)C(C)CN 4089454 [1,1,0,0,0,0|2,0,0]=4
25  B7R0.10  CNC(=O)[C@@H](C)NC 4058453 [1,1,0,0,0,0|2,0,0]=4
26  B7R0.10  CNC(=O)[C@H](C)NC 4051973 [1,1,0,0,0,0|2,0,0]=4
27  B7R0.10  CN[C@@H](C)C(=O)OC 4063702 [1,1,0,0,0,0|2,0,0]=4
28  B7R0.10  CN[C@H](C)C(=O)OC 4068255 [1,1,0,0,0,0|2,0,0]=4
29  B7R0.14  CC(C)(C)C(=O)CN 4089213 [1,1,0,0,0,0|1,0,1]=4
30  B7R0.14  CC(C)(O)C(=O)NN 3015527 [1,1,0,0,0,0|2,0,0]=4
31  B7R0.14  CNC(=O)C(C)(C)N 4090091 [1,1,0,0,0,0|2,0,0]=4
32  B9R1.41  C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,1,0,1,0,0|1,0,1]=4
33  B9R1.165  CC(N)(C(=O)O)C1CC1 4087938 [0,1,0,1,0,0|1,0,1]=4